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BDBM50213559 2-(N-(2-Ffuorophenyl)pyrrol-3-yl) acetic acid::CHEMBL398087

SMILES: OC(=O)Cc1ccn(c1)-c1ccccc1F

InChI Key: InChIKey=FBDSYHLMZKXXBC-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50213559   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50213559
PNG
(2-(N-(2-Ffuorophenyl)pyrrol-3-yl) acetic acid | CH...)
Show SMILES OC(=O)Cc1ccn(c1)-c1ccccc1F
Show InChI InChI=1S/C12H10FNO2/c13-10-3-1-2-4-11(10)14-6-5-9(8-14)7-12(15)16/h1-6,8H,7H2,(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood after 15 mins


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50213559
PNG
(2-(N-(2-Ffuorophenyl)pyrrol-3-yl) acetic acid | CH...)
Show SMILES OC(=O)Cc1ccn(c1)-c1ccccc1F
Show InChI InChI=1S/C12H10FNO2/c13-10-3-1-2-4-11(10)14-6-5-9(8-14)7-12(15)16/h1-6,8H,7H2,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50213559
PNG
(2-(N-(2-Ffuorophenyl)pyrrol-3-yl) acetic acid | CH...)
Show SMILES OC(=O)Cc1ccn(c1)-c1ccccc1F
Show InChI InChI=1S/C12H10FNO2/c13-10-3-1-2-4-11(10)14-6-5-9(8-14)7-12(15)16/h1-6,8H,7H2,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood after 15 mins


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair